#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:55:03 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179161 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/22/4312294.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4312294
loop_
_publ_author_name
'Andrey Yu. Kovalevsky'
'Milan Gembicky'
'Philip Coppens'
_publ_section_title
;
 Cu(I)(2,9-Bis(trifluoromethyl)-1,10-phenanthroline)2+ Complexes:
 Correlation between Solid-State Structure and Photoluminescent Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8282
_journal_page_last               8289
_journal_paper_doi               10.1021/ic049638s
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C28 H12 B Cu F16 N4'
_chemical_formula_weight         782.77
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.0887(2)
_cell_length_b                   13.0935(2)
_cell_length_c                   17.6673(3)
_cell_measurement_temperature    90(2)
_cell_volume                     2796.44(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_av_sigmaI/netI    0.0313
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            39867
_diffrn_reflns_theta_full        28.01
_diffrn_reflns_theta_max         28.01
_diffrn_reflns_theta_min         2.29
_exptl_absorpt_coefficient_mu    0.918
_exptl_absorpt_correction_T_max  0.8377
_exptl_absorpt_correction_T_min  0.8030
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.859
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1544
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.922
_refine_diff_density_min         -0.422
_refine_diff_density_rms         0.080
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.007(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         6751
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0420
_refine_ls_R_factor_gt           0.0345
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0461P)²+1.7071P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0870
_refine_ls_wR_factor_ref         0.0927
_reflns_number_gt                6074
_reflns_number_total             6751
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049638ssi20040318_110404.cif
_cod_data_source_block           cuf6abs
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4312294
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.49677(3) 0.33460(2) 0.123823(15) 0.01942(7) Uani 1 1 d . . .
B1 B 0.0138(3) 0.6994(3) 0.12353(16) 0.0292(6) Uani 1 1 d . . .
F1 F 0.31358(18) 0.12545(16) 0.16387(14) 0.0495(5) Uani 1 1 d . . .
F2 F 0.18422(15) 0.19122(17) 0.23014(11) 0.0425(5) Uani 1 1 d . . .
F3 F 0.26579(16) 0.27782(15) 0.14335(10) 0.0384(4) Uani 1 1 d . . .
F4 F 0.65116(15) 0.49559(18) 0.03766(10) 0.0435(5) Uani 1 1 d . . .
F5 F 0.82890(14) 0.48660(15) 0.04104(10) 0.0356(4) Uani 1 1 d . . .
F6 F 0.73326(17) 0.35073(15) 0.02624(9) 0.0412(5) Uani 1 1 d . . .
F7 F 0.6029(2) 0.01793(17) 0.02815(16) 0.0633(7) Uani 1 1 d . . .
F8 F 0.6704(2) 0.14780(18) 0.08696(17) 0.0675(8) Uani 1 1 d . . .
F9 F 0.5081(2) 0.09329(17) 0.11178(12) 0.0602(6) Uani 1 1 d . . .
F10 F 0.30594(16) 0.63460(13) 0.19847(12) 0.0405(5) Uani 1 1 d . . .
F11 F 0.45511(16) 0.54575(15) 0.21043(10) 0.0383(4) Uani 1 1 d . . .
F12 F 0.29607(18) 0.47213(13) 0.21299(11) 0.0420(5) Uani 1 1 d . . .
F13 F 0.0167(2) 0.76913(17) 0.18235(10) 0.0527(6) Uani 1 1 d . . .
F14 F 0.04805(17) 0.60349(16) 0.14841(11) 0.0441(5) Uani 1 1 d . . .
F15 F -0.09477(15) 0.69152(15) 0.09790(10) 0.0346(4) Uani 1 1 d . . .
F16 F 0.08120(17) 0.73313(18) 0.06489(10) 0.0441(5) Uani 1 1 d . . .
N1 N 0.45680(18) 0.29073(16) 0.22978(12) 0.0195(4) Uani 1 1 d . . .
N2 N 0.64161(17) 0.38120(16) 0.17430(11) 0.0175(4) Uani 1 1 d . . .
N3 N 0.40726(18) 0.44808(17) 0.07022(12) 0.0202(4) Uani 1 1 d . . .
N4 N 0.4943(2) 0.26967(16) 0.02089(11) 0.0221(4) Uani 1 1 d . . .
C1 C 0.3656(2) 0.2479(2) 0.25711(15) 0.0228(5) Uani 1 1 d . . .
C2 C 0.3450(3) 0.2328(2) 0.33406(15) 0.0286(6) Uani 1 1 d . . .
H2A H 0.2781 0.2021 0.3508 0.034 Uiso 1 1 calc R . .
C3 C 0.4234(3) 0.2632(2) 0.38450(15) 0.0304(6) Uani 1 1 d . . .
H3A H 0.4119 0.2532 0.4372 0.036 Uiso 1 1 calc R . .
C4 C 0.5223(2) 0.3099(2) 0.35865(14) 0.0253(6) Uani 1 1 d . . .
C5 C 0.6090(3) 0.3439(2) 0.40803(14) 0.0292(6) Uani 1 1 d . . .
H5A H 0.5995 0.3385 0.4613 0.035 Uiso 1 1 calc R . .
C6 C 0.7032(3) 0.3831(2) 0.38063(16) 0.0296(6) Uani 1 1 d . . .
H6A H 0.7603 0.4024 0.4146 0.036 Uiso 1 1 calc R . .
C7 C 0.7192(2) 0.39640(19) 0.30013(15) 0.0232(5) Uani 1 1 d . . .
C8 C 0.8135(2) 0.4419(2) 0.26929(17) 0.0270(6) Uani 1 1 d . . .
H8A H 0.8728 0.4617 0.3014 0.032 Uiso 1 1 calc R . .
C9 C 0.8205(2) 0.4579(2) 0.19325(16) 0.0255(6) Uani 1 1 d . . .
H9A H 0.8835 0.4901 0.1717 0.031 Uiso 1 1 calc R . .
C10 C 0.7324(2) 0.42572(19) 0.14760(14) 0.0205(5) Uani 1 1 d . . .
C11 C 0.5352(2) 0.32138(19) 0.27990(13) 0.0206(5) Uani 1 1 d . . .
C12 C 0.6350(2) 0.36732(18) 0.25032(13) 0.0189(5) Uani 1 1 d . . .
C13 C 0.2813(2) 0.2124(2) 0.19909(17) 0.0284(6) Uani 1 1 d . . .
C14 C 0.7369(2) 0.4397(2) 0.06333(15) 0.0269(6) Uani 1 1 d . . .
C15 C 0.3588(2) 0.5333(2) 0.09457(17) 0.0256(6) Uani 1 1 d . . .
C16 C 0.3152(3) 0.6072(2) 0.0460(2) 0.0359(7) Uani 1 1 d . . .
H16A H 0.2784 0.6658 0.0653 0.043 Uiso 1 1 calc R . .
C17 C 0.3272(3) 0.5926(3) -0.0308(2) 0.0407(8) Uani 1 1 d . . .
H17A H 0.3026 0.6439 -0.0649 0.049 Uiso 1 1 calc R . .
C18 C 0.3747(2) 0.5044(3) -0.05879(17) 0.0330(7) Uani 1 1 d . . .
C19 C 0.3839(3) 0.4813(3) -0.13851(17) 0.0418(8) Uani 1 1 d . . .
H19A H 0.3618 0.5311 -0.1746 0.050 Uiso 1 1 calc R . .
C20 C 0.4226(3) 0.3916(3) -0.16278(16) 0.0398(8) Uani 1 1 d . . .
H20A H 0.4259 0.3782 -0.2156 0.048 Uiso 1 1 calc R . .
C21 C 0.4594(2) 0.3150(3) -0.11015(15) 0.0327(7) Uani 1 1 d . . .
C22 C 0.4988(3) 0.2198(3) -0.13275(15) 0.0390(7) Uani 1 1 d . . .
H22A H 0.4997 0.2022 -0.1849 0.047 Uiso 1 1 calc R . .
C23 C 0.5360(2) 0.1518(3) -0.07997(18) 0.0359(7) Uani 1 1 d . . .
H23A H 0.5634 0.0868 -0.0946 0.043 Uiso 1 1 calc R . .
C24 C 0.5327(2) 0.1804(2) -0.00378(16) 0.0289(6) Uani 1 1 d . . .
C25 C 0.4120(2) 0.4321(2) -0.00545(14) 0.0228(5) Uani 1 1 d . . .
C26 C 0.4564(2) 0.3357(2) -0.03158(14) 0.0243(5) Uani 1 1 d . . .
C27 C 0.3538(3) 0.5466(2) 0.17919(18) 0.0309(6) Uani 1 1 d . . .
C28 C 0.5783(3) 0.1103(2) 0.0552(2) 0.0371(7) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N4 Cu1 N1 135.77(9) . . ?
N4 Cu1 N2 122.06(9) . . ?
N1 Cu1 N2 83.46(9) . . ?
N4 Cu1 N3 83.20(9) . . ?
N1 Cu1 N3 120.30(9) . . ?
N2 Cu1 N3 115.51(8) . . ?
F13 B1 F16 109.6(3) . . ?
F13 B1 F15 108.5(3) . . ?
F16 B1 F15 109.5(2) . . ?
F13 B1 F14 110.5(2) . . ?
F16 B1 F14 110.3(3) . . ?
F15 B1 F14 108.4(2) . . ?
C1 N1 C11 117.9(2) . . ?
C1 N1 Cu1 131.04(18) . . ?
C11 N1 Cu1 110.73(16) . . ?
C10 N2 C12 117.3(2) . . ?
C10 N2 Cu1 132.76(17) . . ?
C12 N2 Cu1 109.81(17) . . ?
C15 N3 C25 117.8(2) . . ?
C15 N3 Cu1 133.18(19) . . ?
C25 N3 Cu1 108.62(17) . . ?
C24 N4 C26 117.2(2) . . ?
C24 N4 Cu1 131.56(19) . . ?
C26 N4 Cu1 110.87(17) . . ?
N1 C1 C2 124.1(3) . . ?
N1 C1 C13 116.2(2) . . ?
C2 C1 C13 119.7(3) . . ?
C3 C2 C1 118.2(3) . . ?
C2 C3 C4 120.2(2) . . ?
C11 C4 C3 117.2(2) . . ?
C11 C4 C5 119.1(3) . . ?
C3 C4 C5 123.6(2) . . ?
C6 C5 C4 121.3(2) . . ?
C5 C6 C7 121.1(3) . . ?
C8 C7 C12 117.7(2) . . ?
C8 C7 C6 123.0(3) . . ?
C12 C7 C6 119.2(3) . . ?
C9 C8 C7 120.0(3) . . ?
C8 C9 C10 118.3(3) . . ?
N2 C10 C9 123.7(2) . . ?
N2 C10 C14 115.8(2) . . ?
C9 C10 C14 120.5(2) . . ?
N1 C11 C4 122.4(2) . . ?
N1 C11 C12 118.0(2) . . ?
C4 C11 C12 119.6(2) . . ?
N2 C12 C7 122.9(2) . . ?
N2 C12 C11 117.5(2) . . ?
C7 C12 C11 119.6(2) . . ?
F3 C13 F2 108.6(2) . . ?
F3 C13 F1 104.1(2) . . ?
F2 C13 F1 105.6(2) . . ?
F3 C13 C1 113.6(2) . . ?
F2 C13 C1 112.3(2) . . ?
F1 C13 C1 111.9(2) . . ?
F5 C14 F6 106.5(2) . . ?
F5 C14 F4 107.0(2) . . ?
F6 C14 F4 106.4(2) . . ?
F5 C14 C10 112.3(2) . . ?
F6 C14 C10 112.3(2) . . ?
F4 C14 C10 111.9(2) . . ?
N3 C15 C16 123.3(3) . . ?
N3 C15 C27 115.8(2) . . ?
C16 C15 C27 120.9(3) . . ?
C17 C16 C15 117.9(3) . . ?
C16 C17 C18 120.9(3) . . ?
C17 C18 C25 117.1(3) . . ?
C17 C18 C19 123.8(3) . . ?
C25 C18 C19 119.1(3) . . ?
C20 C19 C18 121.7(3) . . ?
C19 C20 C21 120.9(3) . . ?
C22 C21 C26 117.5(3) . . ?
C22 C21 C20 123.0(3) . . ?
C26 C21 C20 119.5(3) . . ?
C23 C22 C21 120.0(3) . . ?
C22 C23 C24 118.2(3) . . ?
N4 C24 C23 124.1(3) . . ?
N4 C24 C28 116.1(2) . . ?
C23 C24 C28 119.7(3) . . ?
N3 C25 C18 122.9(3) . . ?
N3 C25 C26 117.7(2) . . ?
C18 C25 C26 119.4(3) . . ?
N4 C26 C21 122.9(3) . . ?
N4 C26 C25 117.8(2) . . ?
C21 C26 C25 119.3(3) . . ?
F10 C27 F12 106.8(2) . . ?
F10 C27 F11 107.3(2) . . ?
F12 C27 F11 106.6(3) . . ?
F10 C27 C15 111.8(3) . . ?
F12 C27 C15 112.3(2) . . ?
F11 C27 C15 111.7(2) . . ?
F9 C28 F7 105.0(3) . . ?
F9 C28 F8 106.0(3) . . ?
F7 C28 F8 107.3(3) . . ?
F9 C28 C24 113.1(3) . . ?
F7 C28 C24 112.9(3) . . ?
F8 C28 C24 111.9(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 N4 2.0077(19) . ?
Cu1 N1 2.017(2) . ?
Cu1 N2 2.058(2) . ?
Cu1 N3 2.068(2) . ?
B1 F13 1.384(3) . ?
B1 F16 1.390(4) . ?
B1 F15 1.392(4) . ?
B1 F14 1.394(4) . ?
F1 C13 1.355(4) . ?
F2 C13 1.324(3) . ?
F3 C13 1.319(3) . ?
F4 C14 1.348(3) . ?
F5 C14 1.330(3) . ?
F6 C14 1.337(4) . ?
F7 C28 1.334(4) . ?
F8 C28 1.340(4) . ?
F9 C28 1.330(4) . ?
F10 C27 1.334(3) . ?
F11 C27 1.343(4) . ?
F12 C27 1.340(3) . ?
N1 C1 1.328(3) . ?
N1 C11 1.358(3) . ?
N2 C10 1.330(3) . ?
N2 C12 1.358(3) . ?
N3 C15 1.331(3) . ?
N3 C25 1.354(3) . ?
N4 C24 1.331(4) . ?
N4 C26 1.348(4) . ?
C1 C2 1.396(4) . ?
C1 C13 1.518(4) . ?
C2 C3 1.361(4) . ?
C3 C4 1.418(4) . ?
C4 C11 1.408(3) . ?
C4 C5 1.435(4) . ?
C5 C6 1.339(4) . ?
C6 C7 1.446(4) . ?
C7 C8 1.397(4) . ?
C7 C12 1.399(4) . ?
C8 C9 1.362(4) . ?
C9 C10 1.400(4) . ?
C10 C14 1.501(4) . ?
C11 C12 1.446(4) . ?
C15 C16 1.397(4) . ?
C15 C27 1.507(4) . ?
C16 C17 1.378(5) . ?
C17 C18 1.381(5) . ?
C18 C25 1.410(4) . ?
C18 C19 1.445(4) . ?
C19 C20 1.334(6) . ?
C20 C21 1.438(5) . ?
C21 C22 1.393(5) . ?
C21 C26 1.415(3) . ?
C22 C23 1.366(5) . ?
C23 C24 1.398(4) . ?
C24 C28 1.494(5) . ?
C25 C26 1.447(4) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 Cu1 N1 C1 -50.8(3) . . . . ?
N2 Cu1 N1 C1 178.8(2) . . . . ?
N3 Cu1 N1 C1 63.0(3) . . . . ?
N4 Cu1 N1 C11 136.44(17) . . . . ?
N2 Cu1 N1 C11 6.04(16) . . . . ?
N3 Cu1 N1 C11 -109.76(17) . . . . ?
N4 Cu1 N2 C10 39.0(3) . . . . ?
N1 Cu1 N2 C10 -179.9(2) . . . . ?
N3 Cu1 N2 C10 -59.3(2) . . . . ?
N4 Cu1 N2 C12 -145.69(16) . . . . ?
N1 Cu1 N2 C12 -4.51(17) . . . . ?
N3 Cu1 N2 C12 116.02(17) . . . . ?
N4 Cu1 N3 C15 175.6(3) . . . . ?
N1 Cu1 N3 C15 35.6(3) . . . . ?
N2 Cu1 N3 C15 -62.0(3) . . . . ?
N4 Cu1 N3 C25 -11.83(17) . . . . ?
N1 Cu1 N3 C25 -151.83(16) . . . . ?
N2 Cu1 N3 C25 110.55(17) . . . . ?
N1 Cu1 N4 C24 -49.7(3) . . . . ?
N2 Cu1 N4 C24 67.1(3) . . . . ?
N3 Cu1 N4 C24 -177.0(3) . . . . ?
N1 Cu1 N4 C26 138.00(17) . . . . ?
N2 Cu1 N4 C26 -105.22(19) . . . . ?
N3 Cu1 N4 C26 10.71(18) . . . . ?
C11 N1 C1 C2 0.3(4) . . . . ?
Cu1 N1 C1 C2 -172.0(2) . . . . ?
C11 N1 C1 C13 -178.6(2) . . . . ?
Cu1 N1 C1 C13 9.1(4) . . . . ?
N1 C1 C2 C3 -0.4(4) . . . . ?
C13 C1 C2 C3 178.4(3) . . . . ?
C1 C2 C3 C4 0.7(4) . . . . ?
C2 C3 C4 C11 -0.9(4) . . . . ?
C2 C3 C4 C5 -179.8(3) . . . . ?
C11 C4 C5 C6 -2.2(4) . . . . ?
C3 C4 C5 C6 176.7(3) . . . . ?
C4 C5 C6 C7 2.5(4) . . . . ?
C5 C6 C7 C8 176.5(3) . . . . ?
C5 C6 C7 C12 -0.3(4) . . . . ?
C12 C7 C8 C9 0.9(4) . . . . ?
C6 C7 C8 C9 -175.9(3) . . . . ?
C7 C8 C9 C10 -1.4(4) . . . . ?
C12 N2 C10 C9 0.4(4) . . . . ?
Cu1 N2 C10 C9 175.49(19) . . . . ?
C12 N2 C10 C14 179.9(2) . . . . ?
Cu1 N2 C10 C14 -5.0(3) . . . . ?
C8 C9 C10 N2 0.7(4) . . . . ?
C8 C9 C10 C14 -178.8(3) . . . . ?
C1 N1 C11 C4 -0.5(4) . . . . ?
Cu1 N1 C11 C4 173.3(2) . . . . ?
C1 N1 C11 C12 179.5(2) . . . . ?
Cu1 N1 C11 C12 -6.7(3) . . . . ?
C3 C4 C11 N1 0.8(4) . . . . ?
C5 C4 C11 N1 179.8(2) . . . . ?
C3 C4 C11 C12 -179.2(2) . . . . ?
C5 C4 C11 C12 -0.2(4) . . . . ?
C10 N2 C12 C7 -0.9(4) . . . . ?
Cu1 N2 C12 C7 -177.03(19) . . . . ?
C10 N2 C12 C11 178.4(2) . . . . ?
Cu1 N2 C12 C11 2.3(3) . . . . ?
C8 C7 C12 N2 0.2(4) . . . . ?
C6 C7 C12 N2 177.2(2) . . . . ?
C8 C7 C12 C11 -179.1(2) . . . . ?
C6 C7 C12 C11 -2.1(4) . . . . ?
N1 C11 C12 N2 3.0(3) . . . . ?
C4 C11 C12 N2 -177.0(2) . . . . ?
N1 C11 C12 C7 -177.7(2) . . . . ?
C4 C11 C12 C7 2.3(3) . . . . ?
N1 C1 C13 F3 -42.6(3) . . . . ?
C2 C1 C13 F3 138.4(3) . . . . ?
N1 C1 C13 F2 -166.4(2) . . . . ?
C2 C1 C13 F2 14.6(4) . . . . ?
N1 C1 C13 F1 74.9(3) . . . . ?
C2 C1 C13 F1 -104.0(3) . . . . ?
N2 C10 C14 F5 178.6(2) . . . . ?
C9 C10 C14 F5 -1.8(4) . . . . ?
N2 C10 C14 F6 -61.3(3) . . . . ?
C9 C10 C14 F6 118.2(3) . . . . ?
N2 C10 C14 F4 58.3(3) . . . . ?
C9 C10 C14 F4 -122.2(3) . . . . ?
C25 N3 C15 C16 -1.4(4) . . . . ?
Cu1 N3 C15 C16 170.6(2) . . . . ?
C25 N3 C15 C27 178.9(2) . . . . ?
Cu1 N3 C15 C27 -9.1(4) . . . . ?
N3 C15 C16 C17 -2.7(4) . . . . ?
C27 C15 C16 C17 176.9(3) . . . . ?
C15 C16 C17 C18 4.1(5) . . . . ?
C16 C17 C18 C25 -1.4(5) . . . . ?
C16 C17 C18 C19 176.1(3) . . . . ?
C17 C18 C19 C20 -174.7(3) . . . . ?
C25 C18 C19 C20 2.8(4) . . . . ?
C18 C19 C20 C21 -1.5(5) . . . . ?
C19 C20 C21 C22 178.9(3) . . . . ?
C19 C20 C21 C26 -1.2(4) . . . . ?
C26 C21 C22 C23 -2.1(4) . . . . ?
C20 C21 C22 C23 177.8(3) . . . . ?
C21 C22 C23 C24 0.3(4) . . . . ?
C26 N4 C24 C23 0.1(4) . . . . ?
Cu1 N4 C24 C23 -171.9(2) . . . . ?
C26 N4 C24 C28 177.7(2) . . . . ?
Cu1 N4 C24 C28 5.7(4) . . . . ?
C22 C23 C24 N4 0.8(4) . . . . ?
C22 C23 C24 C28 -176.7(3) . . . . ?
C15 N3 C25 C18 4.3(4) . . . . ?
Cu1 N3 C25 C18 -169.6(2) . . . . ?
C15 N3 C25 C26 -175.0(2) . . . . ?
Cu1 N3 C25 C26 11.1(3) . . . . ?
C17 C18 C25 N3 -2.9(4) . . . . ?
C19 C18 C25 N3 179.4(3) . . . . ?
C17 C18 C25 C26 176.4(3) . . . . ?
C19 C18 C25 C26 -1.3(4) . . . . ?
C24 N4 C26 C21 -2.1(4) . . . . ?
Cu1 N4 C26 C21 171.5(2) . . . . ?
C24 N4 C26 C25 178.6(2) . . . . ?
Cu1 N4 C26 C25 -7.9(3) . . . . ?
C22 C21 C26 N4 3.1(4) . . . . ?
C20 C21 C26 N4 -176.8(3) . . . . ?
C22 C21 C26 C25 -177.6(3) . . . . ?
C20 C21 C26 C25 2.5(4) . . . . ?
N3 C25 C26 N4 -2.6(4) . . . . ?
C18 C25 C26 N4 178.1(2) . . . . ?
N3 C25 C26 C21 178.0(2) . . . . ?
C18 C25 C26 C21 -1.3(4) . . . . ?
N3 C15 C27 F10 178.9(2) . . . . ?
C16 C15 C27 F10 -0.8(4) . . . . ?
N3 C15 C27 F12 -61.2(3) . . . . ?
C16 C15 C27 F12 119.1(3) . . . . ?
N3 C15 C27 F11 58.5(3) . . . . ?
C16 C15 C27 F11 -121.1(3) . . . . ?
N4 C24 C28 F9 53.3(4) . . . . ?
C23 C24 C28 F9 -129.0(3) . . . . ?
N4 C24 C28 F7 172.4(3) . . . . ?
C23 C24 C28 F7 -9.9(4) . . . . ?
N4 C24 C28 F8 -66.4(4) . . . . ?
C23 C24 C28 F8 111.3(3) . . . . ?
